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White CsPbBr3: Characterizing the One-Dimensional Cesium Lead Bromide Polymorph
Authors:Marcel Aebli  Bogdan M Benin  Kyle M McCall  Viktoriia Morad  Debora Thöny  Hansjörg Grützmacher  Maksym V Kovalenko
Institution:1. Department of Chemistry and Applied Biosciences, ETH, Zürich, Vladimir-Prelog-Weg 1–5, CH-8093 Zürich, Switzerland

Empa-Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, CH-8600 Dübendorf, Switzerland;2. Department of Chemistry and Applied Biosciences, ETH, Zürich, Vladimir-Prelog-Weg 1–5, CH-8093 Zürich, Switzerland

Abstract:Inorganic lead halide perovskites have gained immense scientific interest for optoelectronic applications. In this work, we present a one-dimensional polymorph of cesium lead bromide (δ-CsPbBr3) synthesized through a simple anion-exchange reaction, wherein distorted edge-sharing PbBr6 octahedra form 1D chains isolated by Cs ions. δ-CsPbBr3 was characterized by Raman spectroscopy, X-ray diffraction, 207Pb and 133Cs solid-state NMR, and by optical emission and absorption spectroscopies. This non-perovskite material irreversibly transforms into the well-known three-dimensional perovskite phase (γ-CsPbBr3) upon heating to above 151 °C. The indirect bandgap was determined by absorption measurements and calculation to be 2.9 eV. δ-CsPbBr3 exhibits broadband yellow photoluminescence with a quantum yield of 3.2 %±0.2 % at room temperature and 95 %±5 % at 77 K, and this emission is attributed to the recombination of self-trapped excitons. This study emphasizes that the metastable δ-CsPbBr3 may be a persistent, concomitant phase in Cs?Pb-Br-containing materials systems, such as those used in solar cells and LEDs, and it showcases the characterization tools used for its detection.
Keywords:Luminescence  anion exchange  perovskite  lead halide  solid-state structures  DFT  NMR spectroscopy  DSC  Raman spectroscopy
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